Bionet1_000737
TL;DR: Bionet1_000737 (CAS 339029-24-2) is a chemical compound with molecular formula C14H17ClF3N5O and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(dimethylaminomethylidene)piperazine-1-carboxamide
Also Known As: Bionet1_000737, 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(dimethylamino)methylene]tetrahydro-1(2H)-pyrazinecarboxamide, 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(dimethylaminomethylidene)piperazine-1-carboxamide, 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(1E)-(dimethylamino)methylidene]piperazine-1-carboxamide, 4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(dimethylamino)methylene]-1-piperazinecarboxamide
| Molecular Formula | C14H17ClF3N5O |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 2.5857 |
| Topological Polar Surface Area | 52.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.10736 |
| Heavy Atoms | 24 |
| Complexity | 627.3262 |
Chemical Identifiers
| CAS Number | 339029-24-2 |
|---|---|
| SMILES | CN(C)C=NC(=O)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
Bionet1_000737 (CAS 339029-24-2), with molecular formula C14H17ClF3N5O and molecular weight 363.11 g/mol. IUPAC: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(dimethylaminomethylidene)piperazine-1-carboxamide.
Chemical Property Profile of Bionet1_000737
Property Insights of Bionet1_000737
The XLogP value of 2.5857 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_000737. With a topological polar surface area (TPSA) of 52.04 Ų, Bionet1_000737 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_000737 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bionet1_000737?
The CAS number of Bionet1_000737 is 339029-24-2.
What is the molecular formula of Bionet1_000737?
The molecular formula of Bionet1_000737 is C14H17ClF3N5O.
What is the molecular weight of Bionet1_000737?
The molecular weight of Bionet1_000737 is 363.11 g/mol.
Where can I buy Bionet1_000737?
You can request a quote for Bionet1_000737 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000737?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000737 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.